Want to implement Constraint in system where Fe is in +2 State with constraint.

[Biraj Maskey]

Dear all, 
I am trying to assign Fe +2 charge and here I have attached the input file as well. However, I need to fix atoms from 1 to 55 so I used constraint module but it is showing error. 

Best Regards,
BIraj

[Ángel Martín Albavera Mata]

Please note that you are not specifying any geometry before this block

dft

  xc b3lyp

  mult 2

  maxiter 1020

end

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